4-chloranyl-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-nitro-benzamide Formula: C22H16ClN3O4 MolecularWeight: 421.83314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C22H16ClN3O4/c1-12-3-4-15(9-13(12)2)22-25-18-11-16(6-8-20(18)30-22)24-21(27)14-5-7-17(23)19(10-14)26(28)29/h3-11H,1-2H3,(H,24,27)